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ZENODO
Dataset . 2022
License: CC BY
Data sources: ZENODO
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Harmonic vibrational frequencies of the structures of iCOMs adsorbed at the surface of the crystalline ice model

Authors: Stefano Ferrero; Lorenzo Zamirri; Cecilia Ceccarelli; Arezu Witzel; Albert RImola; Piero Ugliengo;

Harmonic vibrational frequencies of the structures of iCOMs adsorbed at the surface of the crystalline ice model

Abstract

This dataset contains the CRYSTAL17 output files for the harmonic vibrational frequencies calculations of the structures of iCOMs adsorbed at the surface of a periodic model of a crystalline water ice.

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